Synthesis, crystal structure, thermal analysis, vibrational study dielectric behaviour and Hirshfeld surface analysis of [C6H10(NH3)2)]2 SnCl6 (Cl)2

Mkaouar, Imen; Karâa, Najla; Hamdi, Besma; Zouari, Ridha

doi:10.1016/j.molstruc.2016.02.070

Cited by 43 publications

(7 citation statements)

References 32 publications

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“…This SnCl 6 octahedron is ideal with Cl-Sn-Cl bond angles are also normal (89.10 (3)～90.90 (3)°, 179.99 (2)° ～180°), which are very close to 90° and 180° for an ideal octahedron. These geometric parameters are similar to the previously published results [49][50][51]. In this structure, the average values of the distortion parameters of the anion [SnCl 6 ] 2are calculated using the following equations [38]:…”

Section: Crystal Structuresupporting

confidence: 83%

Structural study, vibrational and optical properties, Hirshfeld surface analysis and DFT investigation of a novel organic cation hexachloridostannate(IV), (C5H8N3)2[SnCl6]

Moussa

Chebbi

Arfaoui

et al. 2019

Journal of Molecular Structure

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Section: Crystal Structuresupporting

confidence: 83%

Structural study, vibrational and optical properties, Hirshfeld surface analysis and DFT investigation of a novel organic cation hexachloridostannate(IV), (C5H8N3)2[SnCl6]

Moussa

Chebbi

Arfaoui

et al. 2019

Journal of Molecular Structure

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“…The 2D fingerprint plots can be deconstructed to highlight particular atom pair contacts for separate the contributions from different interaction types that overlap in the full fingerprint ( Fig. 4b) [35][36][37][38][39]. On the other hand, this analysis can be done by quantitative calculation of 2D fingerprint plots through the Crystal Explorer program [21].…”

Section: Hirshfeld Surfacementioning

confidence: 99%

Synthesis, crystal structure, vibrational, optical properties, thermal analysis and theoretical study of a new Sn(IV) complex (C5H14N2)2[SnCl6]2·5H2O

BelhajSalah

Abdelbaky

Garcı́a-Granda

et al. 2018

Solid State Sciences

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In this study, a new organic-inorganic hybrid metal compound (C 5 H 14 N 2) 2 [SnCl 6 ] 2 .5H 2 O was crystallized at room temperature in the orthorhombic system (space group P2 1 2 1 2 1) where the structure is determined by single crystal X-ray diffraction analysis. The examination of the structure shows the cohesion and stability of the atomic arrangement result from the establishment of N-H•••Cl, O(W)-H(W)•••Cl, N-H•••O(W) and O(W)-H(W)•••O(W) hydrogen bonds between 1-methylpiperazine-1,4-diium (C 5 H 14 N 2) 2+ cations, isolated (SnCl 6) 2anions and water molecules to form organic and inorganic layers parallel to the (a, c) plane and alternate along the b-axis. Hirshfeld surface analysis was used to investigate intermolecular interactions, as well 2D fingerprint plots were conducted to reveal the contribution of these interactions in the crystal structure quantitatively. The solid phase FTIR and FT-Raman spectra of this compound have been recorded in the regions 400-4000 and 100-500 cm −1 , respectively. The vibrational frequencies were also predicted from the calculated intensities by DFT method and were compared with the experimental frequencies, which yield good agreement between observed and calculated frequencies. Besides, the optical proprieties were investigated by UV-visible and photoluminescence spectroscopy studies in the region 200-700 nm and the electronic properties HOMO and LUMO energies were measured by TD-DFT approach. Moreover, this compound was characterized by thermal analysis between 300 and 500 K which revealing two phase transitions. Finally, X-ray photoelectron spectroscopy (XPS) analysis is reported to determine the degree of oxidation of tin in this compound and analyzing the surface chemistry of (C 5 H 14 N 2) 2 [SnCl 6 ] 2 .5H 2 O.

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“…The geometrical characteristics of these cations are reported in Table 3, which shows that the C−C distances range from 1.356(4) Ǻ to 1.520(4) Ǻ, the N−C distances are 1.468 3 The 2D fingerprint plots can be deconstructed to highlight particular atom pair contacts. This deconstruction enables the separation of contributions from different interaction types that overlap in the full fingerprint [39][40][41]. The contributions from different interaction types which overlap in the full fingerprint are then separated (Fig.…”

Section: Description Of the Structurementioning

confidence: 99%

Crystal structure, Hirshfeld surfaces computational study and physicochemical characterization of the hybrid material (C7H10N)2[SnCl6]·H2O

BelhajSalah

Abdelbaky

García-Granda

et al. 2018

Journal of Molecular Structure

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A novel hybrid compound, bis(4-methylanilinium)hexachlorostannate(IV) monohydrate, formulated as (C 7 H 10 N) 2 [SnCl 6 ]•H 2 O, has been prepared and characterized by powder and single crystal X-ray diffraction (XRD), Hirshfeld surface analysis, infrared spectroscopy (IR), optical study, differential thermal analysis(DTA) and X-ray photoelectron spectroscopy analysis (XPS). The title compound crystallizes in the monoclinic space group P2 1 /c with a = 13.093(1)Å, b =7.093(6)Å, c =24.152(2)Å, β =98.536(4)⁰ and V =2218.4(4) Å 3. Their crystal structure exhibits alternating inorganic layers parallel to the (ab) plane at z= n/2.The different entities, [SnCl 6 ] 2-, organic cations and water molecules, are connected via hydrogen bonds to form a three-dimensional network. The powder XRD data confirms the phase purity of the crystalline sample. The intermolecular interactions were investigated by Hirshfeld surfaces. The vibrational absorption bands were identified by IR spectroscopy and have been discussed. The optical properties of the crystal were studied by using optical absorption, UV-visible absorption and photoluminescence spectroscopy studies. The compound was also characterized by DTA to determine its thermal behavior with respect to the temperature. Finally, XPS technique is reported for analyzing the surface chemistry of this compound.

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Synthesis, crystal structure, thermal analysis, vibrational study dielectric behaviour and Hirshfeld surface analysis of [C6H10(NH3)2)]2 SnCl6 (Cl)2

Cited by 43 publications

References 32 publications

Structural study, vibrational and optical properties, Hirshfeld surface analysis and DFT investigation of a novel organic cation hexachloridostannate(IV), (C5H8N3)2[SnCl6]

Structural study, vibrational and optical properties, Hirshfeld surface analysis and DFT investigation of a novel organic cation hexachloridostannate(IV), (C5H8N3)2[SnCl6]

Synthesis, crystal structure, vibrational, optical properties, thermal analysis and theoretical study of a new Sn(IV) complex (C5H14N2)2[SnCl6]2·5H2O

Crystal structure, Hirshfeld surfaces computational study and physicochemical characterization of the hybrid material (C7H10N)2[SnCl6]·H2O

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